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Molecular Dynamic Study of the Cratering Process during High-Velocity Impact of Metallic Clusters with a Substrate
AbstractIn this work, numerical experiments were carried out in the framework of the molecular dynamics method to study the impact interaction of...
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Molecular dynamic study of heterocyclic compounds and carbon nanotube
This manuscript uses molecular dynamics simulations to research the self-assembly process between heterocyclic compounds and carbon nanotubes. These...
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Static and Dynamic Testing of Bag-Type Molecular Spring Vibration Isolator
Abstract—The bag-type molecular spring vibration isolator combines the characteristics of air spring and molecular spring. The molecular spring is...
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Static and Dynamic Testing of a Nonlinear Molecular Spring of Vehicle Suspension
AbstractThe paper explains a concept of a vehicle molecular spring suspension whose stiffness in middle stage can be as low as 13 N/mm. The design of...
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Improving the mechanical shock response of aluminum by graphene composition: molecular dynamic simulation study
Investigating the resistance of materials in some applications, such as aerospace, to ballistic shocks is of great importance. This article used...
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Domain structure and structural transformation of melt alumina under compression: insight from visualization method and molecular dynamic simulation
Molecular dynamic simulation has been done to investigate the domain structure and structural transformation of liquid alumina at 3500 K and under...
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NUMERICAL SIMULATION OF A NANOPARTICLE IMPACT ONTO A TARGET BY THE MOLECULAR DYNAMICS METHOD UNDER THE CONDITIONS OF COLD GAS-DYNAMIC SPRAYING
AbstractResults on a nanoparticle impact onto a target calculated by the molecular dynamics method are presented. The first problem being solved is...
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Molecular Dynamic Study of Thermal Conductivity of Quasi-One-Dimensional Silicon Polyprismane
The thermal conductivity of silicon polyprismanes with sections in the form of regular pentagons and hexagons is studied by the method of...
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Molecular-Dynamic Study of the Interfacial Zone of Dissimilar Metals Under Compression and Shear
Processes of plastic deformation in the interfacial zone of metals with different lattice types are examined using the molecular dynamics method. The...
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Diffusion Characteristics of Self-Point Defects in Copper: Molecular Dynamic Study
AbstractThe energetic, crystallographic, and diffusion characteristics of vacancies and self-interstitial atoms (SIAs) in a face-centered cubic (FCC)...
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Molecular Structure
Molecular structuremolecular structure is a reflection of the Born–Oppenheimer separation of electronic and nuclear motion, which is in turn...
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Molecular Dynamic Simulations of Clathrate Hydrate Structures I: Lattice Constant and Thermal Expansion
Molecular dynamic (MD) simulations of hydrates of methane (CH 4 ) and carbon dioxide (CO 2 ) were carried out. The force fields TIP4P/2005, OPLS-UA, and...
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Assessment of Dynamic Disorder in DNA Oligonucleotides Using Low-Frequency Raman Spectroscopy
AbstractThe degree of DNA compaction in various regions of the cell nucleus determines whether the corresponding genes should be expressed and other...
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Terahertz Vibrational Molecular Clock
This chapter details the marriage of molecular quantum science with atomic clock-making, resulting in an accurate clock based solely on the...
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Hydrolyzed Collagen Quality Control by Dynamic Light Scattering
A dynamic light-scattering method for qualitative analysis was developed and used in production and quality control of hydrolyzed collagen (HC). A...
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Electronic Molecular Spectroscopy
The easiest, and therefore historically the first, method to obtain spectra of molecular samples under dynamic compression is through UV–visible...
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Molecular Dynamic Simulation of the Local Structure of Al–Cu Melts in Liquid and Supercooled States
AbstractAtomic trajectories for Al–Cu alloys in the composition range from 0 to 28 at % of Cu are calculated by the method of classical molecular...
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Classical Molecular Dynamics
Quantum theory is complex and, in many occasions, it is hard to use it to describe systems with many particles. Still, atoms behave in a simple way...
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New method of molecular modeling of liquid transport coefficients
The paper presents a method of molecular modeling of fluid transport coefficients, which is an alternative to the method of molecular dynamics. The...
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Visualizing Molecular Dynamics by High-Speed Atomic Force Microscopy
Dynamic processes and structural changes of biological molecules are essential to life. While conventional atomic force microscopy (AFM) is able to...